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Secondary metabolite: 5-Hydroxy-3,4,5-trimethylfuran-2(5h)-one
Summary
Physicochemical properties
Drug-likeness properties
ADMET properties
Descriptors
Summary
Molecular formula:
C7H10O3
SMILES:
O=C1OC(C(=C1C)C)(C)O
InChI:
InChI=1S/C7H10O3/c1-4-5(2)7(3,9)10-6(4)8/h9H,1-3H3
InChIKey:
QCXQZXGUFOMZPQ-UHFFFAOYSA-N
Molecular scaffolds
Scaffold Graph/Node/Bond level:
O=C1C=CCO1
Scaffold Graph/Node level:
OC1CCCO1
Scaffold Graph level:
CC1CCCC1
Chemical classification
Kingdom:
Organic compounds
Super class:
Organoheterocyclic compounds
Class:
Dihydrofurans
Sub class:
Furanones
Synonymous chemical names:
5-hydroxy-3,4,5-trimethylfuran-2(5h)-one
External chemical identifiers:
CID_12450693
;
CAS_14300-73-3
;
NPATLAS_NPA000211
;
CHEMSPIDER_19483630
;
Molport_MolPort-020-313-429
Chemical structure download
2D:
2D MOL
2D MOL2
2D SDF
3D:
3D MOL
3D MOL2
3D SDF
3D PDB
3D PDBQT
TOP
Designed by
R.P. Vivek-Ananth
, M Karthikeyan and Ajaya Kumar Sahoo